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首页> 外文期刊>Computational & theoretical chemistry >Quantum-classical model of the rhodopsin retinal chromophore cis-trans photoisomerization with modified inter-subsystem coupling
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Quantum-classical model of the rhodopsin retinal chromophore cis-trans photoisomerization with modified inter-subsystem coupling

机译:用改进的间隔内系统耦合罗多蛋白视网膜发色团CIS-Trans-Transization的量子古典模型

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摘要

A modified model of the rhodopsin retinal chromophore cis-trans photoisomerization is developed, where the electron-vibration coupling constant depends exponentially on displacements of mass points. The quantum subsystem of the model includes three electronic states for rhodopsin: (i) the ground state, (ii) the excited state, (iii) the primary photoproduct in the ground state. The classical subsystem includes three mass points. The modifications give sufficient improvement of agreement between computational data and experiments, with all parameters of the model being very close to the most physically realistic values. In particular, improvements concern with data on residual coherent oscillations after photoisomerization is complete.
机译:开发了一种修改的洛越蛋白视网膜发色团CIS-Trans-TransoMerization的模型,其中电子振动耦合常数呈指数呈征集质量点的位移。 该模型的量子子系统包括三种用于罗多蛋白酶的电子状态:(i)地态,(ii)激发态,(iii)地面状态下的初级光调节。 经典子系统包括三个质量点。 该修改提供了计算数据和实验之间的协议的充分改善,模型的所有参数都非常接近最具物理上的值。 特别是,在光偏移完成后,改善了对残留相干振荡的数据的关注。

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